tert-butyl 4-[4-(7-bromanyl-4-fluoranyl-1-benzothiophen-3-yl)butyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(7-bromanyl-4-fluoranyl-1-benzothiophen-3-yl)butyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(7-bromo-4-fluoro-benzothiophen-3-yl)butyl]piperazine-1-carboxylate CAS Name: 4-[4-(7-bromo-4-fluoro-1-benzothiophen-3-yl)butyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(7-bromo-4-fluoro-1-benzothiophen-3-yl)butyl]piperazine-1-carboxylate Traditional Name: 4-[4-(7-bromo-4-fluoro-benzothiophen-3-yl)butyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28BrFN2O2S MolecularWeight: 471.426623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCCC2=CSC3=C(C=CC(=C23)F)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCCC2=CSC3=C(C=CC(=C23)F)Br

InChI

InChI=1S/C21H28BrFN2O2S/c1-21(2,3)27-20(26)25-12-10-24(11-13-25)9-5-4-6-15-14-28-19-16(22)7-8-17(23)18(15)19/h7-8,14H,4-6,9-13H2,1-3H3